- InChI
- InChI=1S/C24H19F2NO5/c1-31-24(30)21(27-22(28)16-4-2-6-18(25)13-16)12-15-8-10-20(11-9-15)32-23(29)17-5-3-7-19(26)14-17/h2-11,13-14,21H,12H2,1H3,(H,27,28)
- InChI Key
- BDTBDTZRJXWVLY-UHFFFAOYSA-N
- Formula
- C24H19F2NO5
- SMILES
-
COC(=O)C(Cc1ccc(OC(=O)c2cccc(F
)c2)cc1)NC(=O)c1cccc(F)c1 - Molecular Weight1
- 439.41
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.9573 | Relay (1.0) Calculated Property | |
| ΔfG° | -439.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -912.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 137.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.698 | Crippen Calculated Property | |
| McVol | 307.710 | ml/mol | McGowan Calculated Property |
| Pc | 1615.47 | kPa | Joback Calculated Property |
| Tboil | 721.98 | K | Relay (1.0) Calculated Property |
| Tc | 1047.31 | K | Relay (1.0) Calculated Property |
| Tfus | 363.18 | K | Relay (1.0) Calculated Property |
| Vc | 1.092 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [971.72; 993.78] | J/mol×K | [1098.22; 1348.59] | 
|
| Cp,gas | 971.72 | J/mol×K | 1098.22 | Joback Calculated Property |
| Cp,gas | 978.91 | J/mol×K | 1139.95 | Joback Calculated Property |
| Cp,gas | 984.61 | J/mol×K | 1181.68 | Joback Calculated Property |
| Cp,gas | 988.88 | J/mol×K | 1223.41 | Joback Calculated Property |
| Cp,gas | 991.78 | J/mol×K | 1265.13 | Joback Calculated Property |
| Cp,gas | 993.39 | J/mol×K | 1306.86 | Joback Calculated Property |
| Cp,gas | 993.78 | J/mol×K | 1348.59 | Joback Calculated Property |
Similar Compounds
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Sources
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